Geometry & MOs

Info

ID:	195781
PubChem CID:	78732373
Reduced:	ClO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	330.119127
ΔH_f, kcal/mol:	-41.7
Dipole, Da:	3.49
IP(EA), eV:	-8.41(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=CC(=CC=C2)N3CCCC3=O)Cl

DOS

IR

Vibrations